1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea

C17H24N4O2 — CID 71992278

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1cn(-c2ccccc2)nc1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C17H24N4O2/c1-12(2)15(9-10-22)18-17(23)19-16-13(3)11-21(20-16)14-7-5-4-6-8-14/h4-8,11-12,15,22H,9-10H2,1-3H3,(H2,18,19,20,23)
InChIKeyGBJOSKUTTCUMHK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.71
Rot. Bonds6

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea (PubChem CID 71992278) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
PubChem CID71992278
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
SMILESCc1cn(-c2ccccc2)nc1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C17H24N4O2/c1-12(2)15(9-10-22)18-17(23)19-16-13(3)11-21(20-16)14-7-5-4-6-8-14/h4-8,11-12,15,22H,9-10H2,1-3H3,(H2,18,19,20,23)
InChIKeyGBJOSKUTTCUMHK-UHFFFAOYSA-N
XLogP2.71
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 111107558
2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
CID 111464580
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 111504369
4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 56782671
(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
CID 124595049
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867151
1-(4-bromo-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473320
1-(5-fluoro-2-methylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111472994
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111504349
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea (CID 71992278) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea is Cc1cn(-c2ccccc2)nc1NC(=O)NC(CCO)C(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
The InChIKey is GBJOSKUTTCUMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)15(9-10-22)18-17(23)19-16-13(3)11-21(20-16)14-7-5-4-6-8-14/h4-8,11-12,15,22H,9-10H2,1-3H3,(H2,18,19,20,23).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea has a molecular weight of 316.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 71992278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).